ChEMBL binding and activity

Activity filtration rules

Here are the full rules used to filter activity annotations:

  • DATA VALIDITY COMMENT is not Potential missing data, Potential transcription error, Outside typical range

  • ASSAY TYPE is binding and STANDARD RELATION is =, <, or <=

  • pCHEMBL is non-null

  • pCHEMBL ≥ 7 (modify with -pchembl)

  • ASSAY ORGANISM is under the specified taxon

  • Assay-to-target relationship confidence score ≥ 4 (modify with target-confidence)

Tip

If you want more stringent selection, try setting --pchembl 9. Changing -target-confidence is less likely to be useful. Setting -tax 32525 (Theria, 160 Ma), --tax 1437010 (Boreoeutheria, 85 Ma), or --tax 314146 (Euarchontoglires, 75 Ma) might be useful.